Ques about Could not compute g_ewald

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1

I met a problem when running LAMMPS. It shows with an error:

Dreiding.in (1.02 KB)

PAN.data (188 KB)

2

Stan can look at this …

Steve

3

I met a problem when running LAMMPS. It shows with an error:
ERROR: Could not compute g_ewald (../pppm.cpp:1277)

The attachment includes the input file and related data file.

all atoms in your data file are without (partial) charge.
thus there is no coulomb interaction to compute and to distribute
between real space and kspace.

either your data file is wrong or you don't need coulomb and kspace in
your input.

axel.